In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 37 | Yes |
Popular Name: (4-benzhydrylpiperazin-1-yl)-[2-(4-pyridyl)-4-quinolyl]methanone (4-benzhydrylpiperazin-1-yl)-[2-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.81 | 14.13 | -11.97 | 0 | 5 | 0 | 49 | 484.603 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.81 | 15.99 | -101.69 | 2 | 5 | 2 | 52 | 486.619 | 5 | ↓ |